acetyl}amino)benzoate structure](/static/products/333/333760-59-1.png)
Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
TL;DR: Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate (CAS 333760-59-1) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate
Also Known As: BAS 00919978, butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate, butyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate, 4-[(Benzo[1,3]dioxol-5-ylmethyl)-aminooxalyl]-amino)-benzoic acid butyl ester, butyl 4-(2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoacetamido)benzoate
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.6271 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 894.5444 |
Chemical Identifiers
| CAS Number | 333760-59-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate (CAS 333760-59-1), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: butyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
Property Insights of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
The XLogP value of 2.6271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The CAS number of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is 333760-59-1.
What is the molecular formula of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The molecular formula of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is C21H22N2O6.
What is the molecular weight of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The molecular weight of Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is 398.15 g/mol.
Where can I buy Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
You can request a quote for Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.